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122019-71-0 | 4-Oxazolecarboxylic acid, 5-(trifluoromethyl)-, ethyl ester
CAS No: 122019-71-0 Catalog No: AG0016NB MDL No:
Product Description
Catalog Number:
AG0016NB
Chemical Name:
4-Oxazolecarboxylic acid, 5-(trifluoromethyl)-, ethyl ester
CAS Number:
122019-71-0
Molecular Formula:
C7H6F3NO3
Molecular Weight:
209.1226
IUPAC Name:
ethyl 5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C7H6F3NO3/c1-2-13-6(12)4-5(7(8,9)10)14-3-11-4/h3H,2H2,1H3
InChI Key:
VHEJZKRMHIXKDC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncoc1C(F)(F)F
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.124g/mol
Monoisotopic Mass:
209.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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